Stearyl Behenate
Basic information
- CAS
24271-12-3- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC- InChIKey
GAQPWOABOQGPKA-UHFFFAOYSA-N- Molecular formula
- C40H80O2
- Average molar mass
- 593.1 g/mol
- Monoisotopic mass
- 592.61583179
Overview
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Names & identifiers
- Preferred name
- Stearyl Behenate
- IUPAC
- octadecyl docosanoate
- English name
- STEARYL BEHENATE
- Molecular formula
- C40H80O2
- Molecular weight
- 593.06
Names & synonyms
Stearyl behenateOctadecyl docosanoate24271-12-3Docosanoic acid, octadecyl esterBehenic acid stearyl esteroctadecanyl docosanoateA68S9UI39DEINECS 246-115-1WE(18:0/22:0)RefChem:889166STEARYL BEHENATE [INCI]246-115-1
Show more names
STEAROYL BEHENATEOctadecyldocosanoatDocosanoicacid,octadecylesterdidodecaneacidecaoctalkanesterbehenicacidstearylestercrystalline
MFCD00048672UNII-A68S9UI39DSCHEMBL136531orb2943996DTXSID3066974Octadecyl docosanoate List AcronymsLMFA07010060TCL-00168
Database identifiers
- CAS
24271-12-3- PubChem CID
- 90435
- DTXSID
DTXSID3066974- UNII
- A68S9UI39D
- EC Number
- 246-115-1
- Nikkaji
- J287.198J
Properties
Computed structural properties
- XLogP
- 19.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 38
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Cosmetics
Cosmetic ingredients (Stearyl Behenate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning; Emollient
Physical Description
Dry Powder
Solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 589.1 · 589.1±18.0 °C(Predicted)
- Density
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- vapor pressure
- 0.007 Pa · 0.007Pa at 20℃
- storage temp.
- 2 · 2-8°C
- form
- Solid:granular
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
- LogP
- 6.5 at · 6.5 at 25℃
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Docosanoic acid, octadecyl ester
Docosanoic acid, octadecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Docosanoic acid, octadecyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Octadecyl docosanoate (EC: 246-115-1)
Other Safety InformationIMAP assessments - Docosanoic acid, octadecyl ester: Human health tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
Safety data
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Stearyl Behenate
U.S. Production2023: 277,916 lb
Consumer UsesOther
Industry UsesOther
Use ClassificationCosmetics -> Skin conditioning; Emollient
General Manufacturing Information
Printing and Related Support Activities
Docosanoic acid, octadecyl ester: ACTIVE
Applications
UsesStearyl behenate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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